SCHEMBL5557018

SCHEMBL5557018

O=C(NCc1ccncc1)c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.60
▸ PDE4B Q07343 1/20 0.60
▸ PDE4C Q08493 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ KMT2A Q03164 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CCR1 P32246 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ ATM Q13315 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5552805 0.90 EGLN1 (0.51) PDE4APDE4BPDE4CPDE4DCYP3A4
SCHEMBL6222660 0.82 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL5557953 0.82 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKMT2A
Hydrochloric Acid SCHEMBL5557061 0.81 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL5552794 0.81 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL5559147 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9278001 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL3540199 0.80 CNR1 (0.53) CNR1CNR2LMNAPOLB
Hydrochloric Acid SCHEMBL9278006 0.79 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7172524 0.77 KCNH2 (0.53) PDE4AKMT2AL3MBTL1CCR1CNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169787-B2 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same ELBION AG (DE) 2007-01-30 — — US claimed
EP-1330455-B1 NOVEL 7-AZAINDOLES, USE THEREOF AS PHOSPHODIESTERASE 4 INHIBITORS AND METHOD FOR PRODUCING THE SAME ELBION AG (DE) 2005-08-03 — — EP claimed
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same BIOTIE THERAPIES GMBH (DE) 2004-06-03 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040106641-A1 Novel 7-azaindoles, use thereof as phosphodiesterase 4 inhibitors and method for producing the same PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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